N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide

C18H22N2O3S — CID 143407635

IUPACN,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide
SMILESC=CC(=O)c1ccc(C(=O)Nc2cccc(OC)c2)s1.CN(C)C
InChIInChI=1S/C15H13NO3S.C3H9N/c1-3-12(17)13-7-8-14(20-13)15(18)16-10-5-4-6-11(9-10)19-2;1-4(2)3/h3-9H,1H2,2H3,(H,16,18);1-3H3
InChIKeyALWSQDGUWNOPMM-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.56
Rot. Bonds5

About N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide

N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide (PubChem CID 143407635) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide
PubChem CID143407635
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide
SMILESC=CC(=O)c1ccc(C(=O)Nc2cccc(OC)c2)s1.CN(C)C
InChIInChI=1S/C15H13NO3S.C3H9N/c1-3-12(17)13-7-8-14(20-13)15(18)16-10-5-4-6-11(9-10)19-2;1-4(2)3/h3-9H,1H2,2H3,(H,16,18);1-3H3
InChIKeyALWSQDGUWNOPMM-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-[3-(dimethylamino)prop-2-enoyl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 72558860
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
5-chloro-N-[(3-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 15740358
3-amino-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 61090375
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 8714146
5-amino-N-(3-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 61092431
1-N-[4-(dimethylamino)phenyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050069
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide?
The IUPAC name of N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide (CID 143407635) is N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide?
The canonical SMILES for N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide is C=CC(=O)c1ccc(C(=O)Nc2cccc(OC)c2)s1.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide?
The InChIKey is ALWSQDGUWNOPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S.C3H9N/c1-3-12(17)13-7-8-14(20-13)15(18)16-10-5-4-6-11(9-10)19-2;1-4(2)3/h3-9H,1H2,2H3,(H,16,18);1-3H3.
What are the key properties of N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide?
N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;N-(3-methoxyphenyl)-5-prop-2-enoylthiophene-2-carboxamide is sourced from PubChem (CID 143407635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).